ethyl 1-[6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-(4-ethylphenoxy)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(4-ethylphenoxy)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C20H24N4O5 MolecularWeight: 400.42836

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)OCC

InChI

InChI=1S/C20H24N4O5/c1-3-14-5-7-16(8-6-14)29-19-17(24(26)27)18(21-13-22-19)23-11-9-15(10-12-23)20(25)28-4-2/h5-8,13,15H,3-4,9-12H2,1-2H3